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At least 343 records · Page 19

Time-dependent evolution of cosmic-ray-modified shock structure: Transition to steady state

Steady state solutions to the two-fluid equations of cosmic-ray-modified shock structure were investigated first by Drury and Volk (1981). Their analysis revealed, among other properties, that there exist regions of upstream parameter space where the equations possess three different downstream solutions for a given upstream state. In this paper we investigate whether or not all these solutions can occur as time-asymptotic states in a physically realistic evolution. To do this, we investigate the time-dependent evolution of the two-fluid cosmic-ray equations in going from a specified initial condition to a steady state. Our results indicate that the time-asymptotic solution is strictly single-valued, and it undergoes a transition from weakly to strongly cosmic-ray-modified at a critical value of the upstream cosmic ray energy density. The expansion of supernova remnant shocks is considered as an example, and it is shown that the strong to weak transition is in fact more likely. The third intermediate solution is shown to influence the time-dependent evolution of the shock, but it is not found to be a stable time-asymptotic state. Timescales for convergence to these states and their implications for the efficiency of shock acceleration are considered. We also investigate the effects of a recently introduced model for the injection of seed particles into the shock accelerated cosmic-ray population. The injection is found to result in a more strongly cosmic-ray-dominated shock, which supports our conclusion that for most classes of intermediate and strong cosmic-ray-modified shocks, the downstream cosmic-ray pressure component is at least as large as the thermal gas pressure, independent of the upstream state. As a result, cosmic rays almost always play a significant role in determining the shock structure and dissipation and they cannot be regarded as test particles.

Donohue, D. J.↗

Dynamic Modeling of a Fast Spectrum Molten Salt Reactor Integrated Energy System

Liquid-fueled molten salt fast reactors and nuclear-powered integrated energy systems (IESs) have the potential to play a pivotal role in the green energy transition. However, these systems have little to no operating experience. There is therefore increased interest and value in modeling and simulating these systems. The IES dynamic model developed in this work utilizes a lumped-parameter control volume methodology to investigate the behavior of the IES in a variety of accident scenarios. The results provide initial evidence for the potential inherent safety of the advanced reactor because of temperature-dependent reactivity feedback and the efficiency of hydrogen and electricity production at the high temperatures provided by the advanced reactor.

MCFR↗

Optical pulse-induced ultrafast antiferrodistortive transition in SrTiO 3

The ultrafast dynamics of the antiferrodistortive phase transition in perovskite SrTiO 3 is monitored via time-domain Brillouin scattering. Using femtosecond optical pulses, we initiate a thermally driven tetragonal-to-cubic structural transformation and detect the crystal phase through changes in the frequency of Brillouin oscillations (BO) induced by propagating acoustic phonons. Coupling the measured BO frequency with a spatiotemporal heat diffusion model, we demonstrate that, for a sample kept in the tetragonal phase, deposition of sufficient thermal energy induces a rapid transformation of the heat-affected region to the cubic phase. The initial phase change is followed by a slower reverse cubic-to-tetragonal phase transformation occurring on a timescale of hundreds of picoseconds. Here, we attribute this ultrafast phase transformation in the perovskite to a structural resemblance between atomic displacements of the R-point soft optic mode of the cubic phase and the tetragonal phase, both characterized by anti-phase rotation of oxygen octahedra. The structural relaxation time exhibits a strong temperature dependence consistent with the prediction of the equation of motion describing collective oxygen octahedra rotation based on the energy landscape of the phenomenological Landau theory of phase transitions. Evidence of such a fast structural transition in perovskites can open up new avenues in information processing and energy storage sectors.

36 MATERIALS SCIENCE↗

Polymorphism and phase transitions in Na 2 U 2 O 7 from density functional perturbation theory

Polymorphism and phase transitions in sodium diuranate, Na 2 U 2 O 7 , are investigated with density functional perturbation theory (DFPT). Thermal properties of crystalline α-, β- and γ-Na 2 U 2 O 7 polymorphs are predicted from DFPT phonon calculations, i.e., the first time for the high-temperature γ-Na 2 U 2 O 7 phase (R$\bar{3}$ with combining macron]m symmetry). The standard molar isochoric heat capacities predicted within the quasi-harmonic approximation are C p (298.15K)= 219.4 and 220.9 J K -1 mol -1 mfor P21/a α-Na 2 U 2 O 7 and C2/m β-Na 2 U 2 O 7 , respectively. Gibbs free energy calculations reveal that α-Na 2 U 2 O 7 (P2 1 /a) and β-Na 2 U 2 O 7 (C2/m) are almost energetically degenerate at low temperature, with β-Na 2 U 2 O 7 becoming slightly more stable than α-Na 2 U 2 O 7 as temperature increases. Here these findings are consistent with XRD data showing a mixture of α and β phases after cooling of γ-Na 2 U 2 O 7 to room temperature and the observation of a sluggish α → β phase transition above ca. 600 K. A recently observed α-Na 2 U 2 O 7 structure with P21 symmetry is also shown to be metastable at low temperature. Based on Gibbs free energy, no direct β → γ solid-solid phase transition is predicted at high temperature, although some experiments reported the existence of such phase transition around 1348 K. This, along with recent experiments, suggests the occurrence of a multi-step process consisting of initial β-phase decomposition, followed by recrystallization into γ-phase as temperature increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microreactor Applications in U.S. Markets: Evaluation of State-Level Legal, Regulatory, Economic and Technology Implications

This report provides an evaluation of state-level legal, regulatory, economic and technology implications for microreactor applications in U.S. markets. The initial focus is on Alaska (AK) and Wyoming (WY) energy markets serving location-specific energy needs for electricity and heat. A state-by-state evaluation of current carbon/carbon-related policies and nuclear policies is conducted to assess broader market applicability in states undergoing energy transitions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

OSO-8 observations of the impulsive phase of solar flares in the transition-zone and corona

Several solar flares were observed from their onset in C IV 1548.2 A and 1-8 A X-rays using instruments on OSO-8. It is found that impulsive brightening in C IV is often accompanied by redshifts, interpreted as downflows, of the order of 80 km/s. The maximum soft X-ray intensity usually arrives several minutes after the maximum C IV intensity. The most energetic C IV event observed shows a small blueshift just before reaching maximum intensity; estimates of the mass flux associated with this upflow through the transition zone are consistent with the increase of mass in the coronal loops as observed in soft X-rays. Finally, it is suggested that the frequent occurrence of violent dynamical processes at the onset of the flare is associated with the initial energy release mechanism.

Lites, B. W.↗

Combustion characteristics in the transition region of liquid fuel sprays

A number of important effects were observed in the droplet size transition region in spray combustion systems. In this region, where the mechanism of flame propagation is transformed from diffusive to premixed dominated combustion, the following effects have been observed: (1) maxima in burning velocity; (2) extension of flammability limits; (3) minima in ignition energy; and (4) minima in NO(x) formation. Unfortunately, because of differences in experimental facilities and limitations in the ranges of experimental data, a unified description of these transition region effects is not available at this time. Consequently, a fundamental experimental investigation was initiated to study the effect of droplet size, size distribution, and operating parameters on these transition region phenomena in a single well controlled spray combustion facility.

Cernansky, N. P.↗

Fermi and Swift Observations of GRB 190114C: Tracing the Evolution of High-energy Emission from Prompt to Afterglow

We report on the observations of gamma-ray burst (GRB) 190114C by the Fermi Gamma-ray Space Telescope and the Neil Gehrels Swift Observatory . The prompt gamma-ray emission was detected by the Fermi GRB Monitor (GBM), the Fermi Large Area Telescope (LAT), and the Swift Burst Alert Telescope (BAT) and the long-lived afterglow emission was subsequently observed by the GBM, LAT, Swift X-ray Telescope (XRT), and Swift UV Optical Telescope. The early-time observations reveal multiple emission components that evolve independently, with a delayed power-law component that exhibits significant spectral attenuation above 40 MeV in the first few seconds of the burst. This power-law component transitions to a harder spectrum that is consistent with the afterglow emission observed by the XRT at later times. This afterglow component is clearly identifiable in the GBM and BAT light curves as a slowly fading emission component on which the rest of the prompt emission is superimposed. As a result, we are able to observe the transition from internal-shock- to external-shock-dominated emission. We find that the temporal and spectral evolution of the broadband afterglow emission can be well modeled as synchrotron emission from a forward shock propagating into a wind-like circumstellar environment. We estimate the initial bulk Lorentz factor using the observed high-energy spectral cutoff. Considering the onset of the afterglow component, we constrain the deceleration radius at which this forward shock begins to radiate in order to estimate the maximum synchrotron energy as a function of time. We find that even in the LAT energy range, there exist high-energy photons that are in tension with the theoretical maximum energy that can be achieved through synchrotron emission from a shock. These violations of the maximum synchrotron energy are further compounded by the detection of very high-energy (VHE) emission above 300 GeV by MAGIC concurrent with our observations. We conclude that the observations of VHE photons from GRB 190114C necessitates either an additional emission mechanism at very high energies that is hidden in the synchrotron component in the LAT energy range, an acceleration mechanism that imparts energy to the particles at a rate that is faster than the electron synchrotron energy-loss rate, or revisions of the fundamental assumptions used in estimating the maximum photon energy attainable through the synchrotron process.

79 ASTRONOMY AND ASTROPHYSICS↗

Fermi and Swift Observations of GRB 190114C: Tracing the Evolution of High-energy Emission from Prompt to Afterglow

We report on the observations of gamma-ray burst (GRB) 190114C by the Fermi Gamma-ray Space Telescope and the Neil Gehrels Swift Observatory. The prompt gamma-ray emission was detected by the Fermi GRB Monitor (GBM), the Fermi Large Area Telescope (LAT), and the Swift Burst Alert Telescope (BAT) and the long-lived afterglow emission was subsequently observed by the GBM, LAT, Swift X-ray Telescope (XRT), and Swift UV Optical Telescope. The early-time observations reveal multiple emission components that evolve independently, with a delayed power-law component that exhibits significant spectral attenuation above 40 MeV in the first few seconds of the burst. This power-law component transitions to a harder spectrum that is consistent with the afterglow emission observed by the XRT at later times. This afterglow component is clearly identifiable in the GBM and BAT light curves as a slowly fading emission component on which the rest of the prompt emission is superimposed. As a result, we are able to observe the transition from internal-shock- to external-shock-dominated emission. We find that the temporal and spectral evolution of the broadband afterglow emission can be well modeled as synchrotron emission from a forward shock propagating into a wind-like circumstellar environment. We estimate the initial bulk Lorentz factor using the observed high-energy spectral cutoff. Considering the onset of the afterglow component, we constrain the deceleration radius at which this forward shock begins to radiate in order to estimate the maximum synchrotron energy as a function of time. We find that even in the LAT energy range, there exist high-energy photons that are in tension with the theoretical maximum energy that can be achieved through synchrotron emission from a shock. These violations of the maximum synchrotron energy are further compounded by the detection of very high-energy (VHE) emission above 300 GeV by MAGIC concurrent with our observations. We conclude that the observations of VHE photons from GRB 190114C necessitates either an additional emission mechanism at very high energies that is hidden in the synchrotron component in the LAT energy range, an acceleration mechanism that imparts energy to the particles at a rate that is faster than the electron synchrotron energy-loss rate, or revisions of the fundamental assumptions used in estimating the maximum photon energy attainable through the synchrotron process.

M. Ajello↗

NASA's Space Launch System Mission Capabilities for Exploration

Designed to enable human space exploration missions, including eventual landings on Mars, NASA's Space Launch System (SLS) represents a unique launch capability with a wide range of utilization opportunities, from delivering habitation systems into the lunar vicinity to high-energy transits through the outer solar system. Developed with the goals of safety, affordability and sustainability in mind, SLS is a foundational capability for NASA's future plans for exploration, along with the Orion crew vehicle and upgraded ground systems at the agency's Kennedy Space Center. Substantial progress has been made toward the first launch of the initial configuration of SLS, which will be able to deliver more than 70 metric tons of payload into low Earth orbit (LEO), greater mass-to-orbit capability than any contemporary launch vehicle. The vehicle will then be evolved into more powerful configurations, culminating with the capability to deliver more than 130 metric tons to LEO, greater even than the Saturn V rocket that enabled human landings on the moon. SLS will also be able to carry larger payload fairings than any contemporary launch vehicle, and will offer opportunities for co-manifested and secondary payloads. Because of its substantial mass-lift capability, SLS will also offer unrivaled departure energy, enabling mission profiles currently not possible. Early collaboration with science teams planning future decadal-class missions have contributed to a greater understanding of the vehicle's potential range of utilization. This presentation will discuss the potential opportunities this vehicle poses for the planetary sciences community, relating the vehicle's evolution to practical implications for mission capture. As this paper will explain, SLS will be a global launch infrastructure asset, employing sustainable solutions and technological innovations to deliver capabilities for space exploration to power human and robotic systems beyond our Moon and in to deep space.

Creech, Stephen D.↗

NASA'S Space Launch System Mission Capabilities for Exploration

Designed to enable human space exploration missions, including eventual landings on Mars, NASA’s Space Launch System (SLS) represents a unique launch capability with a wide range of utilization opportunities, from delivering habitation systems into the lunar vicinity to high-energy transits through the outer solar system. Developed with the goals of safety, affordability and sustainability in mind, SLS is a foundational capability for NASA’s future plans for exploration, along with the Orion crew vehicle and upgraded ground systems at the agency’s Kennedy Space Center. Substantial progress has been made toward the first launch of the initial configuration of SLS, which will be able to deliver more than 70 metric tons of payload into low Earth orbit (LEO), greater mass-to-orbit capability than any contemporary launch vehicle. The vehicle will then be evolved into more powerful configurations, culminating with the capability to deliver more than 130 metric tons to LEO, greater even than the Saturn V rocket that enabled human landings on the moon. SLS will also be able to carry larger payload fairings than any contemporary launch vehicle, and will offer opportunities for co-manifested and secondary payloads. Because of its substantial mass-lift capability, SLS will also offer unrivaled departure energy, enabling mission profiles currently not possible. Early collaboration with science teams planning future decadal-class missions have contributed to a greater understanding of the vehicle’s potential range of utilization. This presentation will discuss the potential opportunities this vehicle poses for the planetary sciences community, relating the vehicle’s evolution to practical implications for mission capture. As this paper will explain, SLS will be a global launch infrastructure asset, employing sustainable solutions and technological innovations to deliver capabilities for space exploration to power human and robotic systems beyond our Moon and in to deep space.

Creech, Stephen D.↗

Adsorbate-induced adatom formation on Au-Cu bimetallic alloys and its possible consequences for CO 2 electroreduction

The adsorbate-induced formation of sub-nanometer clusters on transition-metal single crystals observed in previous high-pressure microscopic studies hinted at the in-situ formation of unique active sites even on large nanoparticle catalysts. We propose that the adatom formation energy can be used as an energetic descriptor for the initial step toward the adsorbate-induced metal-cluster formation process. This descriptor can be efficiently computed using density functional theory (DFT) calculations and applied for screening and identification of metal catalysts where this phenomenon may play an important role in generating active sites in-situ. As a proof of concept, here, we construct an adatom formation energy database for three Au x Cu y alloys (x:y = 3:1, 1:1, or 1:3) and eighteen adsorbates (H, C, N, O, F, S, Cl, Br, I, CH x , NH x (x = 1 – 3), CO, NO, and OH) commonly involved in catalytic reactions. The energetics of adatom formation were examined in all cases where the (111) terrace, (211) step-edge, and (874) kink were the sources of the adatom. We demonstrate that the presence of an adsorbate could alter not only the energetics for adatom formation but also the elemental nature of the preferred adatom being formed. Using our database, we identified promising systems which favor adsorbate-induced adatom formation under near-ambient conditions. Specifically, CO-induced adatom formation on all three Au-Cu alloy surfaces could occur under CO 2 electroreduction (CO 2 RR) conditions. This phenomenon offers a qualitative explanation for the experimentally observed CO 2 RR activity on Au-Cu alloy catalysts. As a result, our methodology offers an easily expandable and efficient approach for large-scale catalyst screening with regards to adatom/cluster formation under reaction conditions and provides insight into the possible nature of active sites on alloy catalysts from a novel perspective.

Active site↗

Unfolding quantum computer readout noise

Abstract In the current era of noisy intermediate-scale quantum computers, noisy qubits can result in biased results for early quantum algorithm applications. This is a significant challenge for interpreting results from quantum computer simulations for quantum chemistry, nuclear physics, high energy physics (HEP), and other emerging scientific applications. An important class of qubit errors are readout errors. The most basic method to correct readout errors is matrix inversion, using a response matrix built from simple operations to probe the rate of transitions from known initial quantum states to readout outcomes. One challenge with inverting matrices with large off-diagonal components is that the results are sensitive to statistical fluctuations. This challenge is familiar to HEP, where prior-independent regularized matrix inversion techniques (“unfolding”) have been developed for years to correct for acceptance and detector effects, when performing differential cross section measurements. We study one such method, known as iterative Bayesian unfolding, as a potential tool for correcting readout errors from universal gate-based quantum computers. This method is shown to avoid pathologies from commonly used matrix inversion and least squares methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydrogen Energy Storage Integrated with a Combined Cycle Plant

A project is being developed that will build upon the existing infrastructure and resources at the Intermountain Power Project (IPP) site to provide reliable, dispatchable energy and to support the transmission of renewable energy resources while transitioning to an economical green energy future. The concept study depicted in this report outlines a techno-economic optimization to fulfill the demand for 30% vol hydrogen co-firing in the IPP 840 MW advanced class combined cycle power plant. In an initial step, a site assessment concluded the site has sufficient land available to co-locate a hydrogen production and storage facility. The team evaluated and defined a scalable concept that considered technology characteristics, including input and output models to be used for optimization purposes. The concept for the hydrogen production and storage system integrates multiple technologies, to determine system size and scalable approach, for each of the technologies evaluated, the team defined component and subcomponent sizes, minimum and maximum capacity, modularity, component utility consumption (electric, water), component flexibility and servicing, layout, and technology status, as well as technology alternatives. For hydrogen generation, the project considers Siemens Energy’s Silyzer-300 (S300) technology, a 17.5 MW modular Proton Exchange Membrane (PEM) electrolyzer. For the S300 configuration, the team determined that three S300 arrays, or approximately 1,000 kg/hr, per block would yield a compact block design. This configuration results in a fairly wide and flexible arrangement that fits well into the spaces available at the site. Therefore, the overall design approach is based on multiple identical blocks of 3 arrays to minimize engineering cost and optimize constructability. In parallel, a transmission screening study was conducted to determine any potential transmission constraints from the energy sources that could feed the hydrogen production equipment. The study results show that minimum transmission constraints would be encountered to deliver 400 MW renewable generation from southern California, or south-central Wyoming. At last, the techno-economic analysis concluded that a scenario that uses solar and wind power yields the lowest levelized cost of hydrogen (LCOH 2 ) production and the lowest cost per tonne of CO 2 reduced. In this optimized scenario, the hydrogen production plant was determined as 6,201 kg/hr and the hydrogen storage (underground cavern) was determined as 4,600 tonnes. The resulting capacity factor for the hydrogen production plant was 66.33% with 8,745 operating hours in one year. This techno-economic analysis provided various options for integrating hydrogen storage at the Intermountain Power Plant site to co-fire the CCPP units. The results provide insightful data about the magnitude of capacity needed and the economics of producing hydrogen and reducing CO 2 emissions.

08 HYDROGEN↗

Exploring the Electrochemical Stability Window of an All-Solid-State Composite Cathode via a Novel Operando Tender XPS Setup

All-solid-state batteries (ASSBs) have the potential to provide greater energy density than conventional batteries based on liquid electrolytes. Here, an operando ASSB cell setup for tender X-ray photoelectron spectroscopy (XPS) was developed, and the interface of a Ni-rich layered transition metal oxide cathode active material (CAM) and an Li 6 PS 5 Cl (LPSCl) solid electrolyte (SE) was evaluated during initial charge/discharge cycles. After validating the cell performance against a conventional pouch cell operated at high compression, intermittent galvanostatic cycling was performed, and XPS data were recorded as a function of state of charge (SOC). Upon the initial charge of the cell to ≈3.3 V Li , the LPSCl appears to decompose into LiCl, Li 3 PS 4 , and polysulfides, whose amount gradually increases with potential. Upon further charge, at a potential higher than ≈3.8 V Li , initially, present sulfate and sulfite impurities decompose, and at ≈74% SOC (corresponding to a cathode potential of ≈4.10 V Li ), surface reconstruction of the CAM particles due to lattice oxygen release is detected. In addition, at potentials beyond ≈4.6 V Li , a decrease of the S 1s counts of the sum of the LPSCl, the thiophosphate, and polysulfide species suggests the formation of elemental sulfur that is lost via sublimation into the vacuum chamber.

25 ENERGY STORAGE↗

Advanced Stirling Convertor (ASC) Development for NASA RPS

Sunpower's Advanced Stirling Convertor (ASC) initiated development under contract to the NASA Glenn Research Center (GRC) and after a series of successful demonstrations, the ASC began transitioning from a technology development project to flight development project. The ASC has very high power conversion efficiency making it attractive for future Radioisotope Power Systems (RPS) in order to make best use of the low plutonium-238 fuel inventory in the U.S. In recent years, the ASC became part of the NASA-Department of Energy Advanced Stirling Radioisotope Generator (ASRG) Integrated Project. Sunpower held two parallel contracts to produce ASC convertors, one with the Department of Energy/Lockheed Martin to produce the ASC-F flight convertors, and one with NASA GRC for the production of ASC-E3 engineering units, the initial units of which served as production pathfinders. The integrated ASC technical team successfully overcame various technical challenges that led to the completion and delivery of the first two pairs of flight-like ASC-E3 by 2013. However, in late Fall 2013, the DOE initiated termination of the Lockheed Martin ASRG flight development contract driven primarily by budget constraints. NASA continues to recognize the importance of high efficiency ASC power conversion for RPS and continues investment in the technology including the continuation of ASC-E3 production at Sunpower and the assembly of the ASRG Engineering Unit #2. This paper provides a summary of ASC technical accomplishments, overview of tests at GRC, plans for continued ASC production at Sunpower, and status of Stirling technology development.

Power Efficiency↗

Monte Carlo solution of Boltzmann equation for a simple model of highly nonequilibrium diatomic gases - Translational rotational energy relaxation

Theoretical results pertaining to internally excited translational-rotational energy relaxation in a spatially uniform diatomic gas far removed from solid boundaries are obtained by solving the Boltzmann equation by means of the Monte Carlo direct simulation method. The analysis is based on calculations involving three different types of initial conditions: equilibrium, nonequilibrium-equipartition (i.e., equipartition is satisfied, but the distributions are perturbed), and nonequilibrium-nonequipartition (i.e., both equipartition and the distributions are perturbed). Results of monatomic-gas simulations are also included to facilitate comparisons with the coupled translational-rotational relaxation simulations, and some simulations for a normal shock-wave structure are briefly examined. The results show that: (1) single-step transitions are the significant mechanisms of intermodal energy transfer; (2) translational-rotational transitions are coupled most efficiently for low-lying states of rotationally excited molecules and least efficiently for highly rotationally excited molecules; and (3) relaxation occurs via a successive set of distributions that are not Maxwell-Boltzmann (nonlocal Maxwellian).

Yoshikawa, K. K.↗

Characterization of Radiation Effects and Ion Tracks with Spallation Neutron Probes

Swift heavy ions are typically defined as high-mass charged particles of kinetic energy above ~1 MeV per nucleon (MeV/u). In this regime, the energy deposition of the ions is dominated by electronic stopping, and each individual ion may induce a linear trail of damage with a width of a few nanometers and a length of several tens of micrometers or more. During the last decade, ion tracks and other radiation effects induced by swift heavy ions have been studied in a wide range of materials for basic research, as well as for a wide variety of applications. The interactions of swift heavy ions with matter are significantly different from those induced by lower energy ions (keV-MeV), where atoms are directly displaced from their lattice sites via elastic collisions. In contrast, swift ions (MeV-GeV) transfer their kinetic energy to the electrons of the target, inducing ionization and initiating a cascade of secondary electrons that quickly spreads radially. The extremely high energy densities (up to tens of eV/atom) along the ion path lead to a confined plasma-like state that is dissipated through electron–phonon coupling to the lattice. Further, subsequent rapid transitions through equilibrium and non-equilibrium states trigger complex structural modifications within a highly localized nanoscale damage zone, forming ion tracks in materials ion tracks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗